Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL8436309

O=C(N=CN1C[C@@H](S)C[C@H]1C(=O)N1CCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1)OCc1ccc([N+](=O)[O-])cc1.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
MEN1 O00255 1/20 0.33
NPBWR1 P48145 3/20 0.32
MCHR1 Q99705 3/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ENPP2 Q13822 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8434836 0.90 KMT2A (0.39) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
Trifluoromethanesulfonic Acid SCHEMBL8438656 0.89 CCR5 (0.35) KMT2ADPP8DPP9MCHR1TDP1
Trifluoromethanesulfonic Acid SCHEMBL8576424 0.87 DPP8 (0.35) DPP8DPP9NPBWR1MCHR1TDP1
Trifluoromethanesulfonic Acid SCHEMBL8541838 0.86 PDK1 (0.35) KMT2AALDH1A1LMNAMAPTDPP8
SCHEMBL8438657 0.86 RECQL (0.39) KMT2AALDH1A1MAPTDPP8DPP9
Trifluoromethanesulfonic Acid SCHEMBL8440244 0.85 CCR5 (0.34)
Trifluoromethanesulfonic Acid SCHEMBL8439500 0.85 ALDH1A1 (0.40) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL8438004 0.84 RECQL (0.38) DPP8DPP9NPBWR1MCHR1TDP1
SCHEMBL8438542 0.83 ALDH1A1 (0.36) KMT2AALDH1A1MAPTDPP8DPP9
Trifluoromethanesulfonic Acid SCHEMBL8436590 0.83 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed